scholarly journals Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure

2018 ◽  
Vol 9 (6) ◽  
pp. 1551-1559 ◽  
Author(s):  
Gavin A. Craig ◽  
Arup Sarkar ◽  
Christopher H. Woodall ◽  
Moya A. Hay ◽  
Katie E. R. Marriott ◽  
...  
Keyword(s):  
High Pressure ◽  
Magnetic Anisotropy ◽  
Ab Initio ◽  
Trigonal Bipyramidal ◽  
Synergistic Combination

The synergistic combination of high pressure techniques with ab initio methods creates a powerful tool to understand giant magnetic anisotropy.

Magnetic anisotropy on demand exploiting high-pressure as remote control: an ab initio proof-of-concept

2021 ◽  
Author(s):  
Matteo Briganti ◽  
Federico Totti
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Remote Control ◽  
Magnetic Anisotropy ◽  
Ab Initio ◽  
Single Molecule ◽  
Boiling Temperature ◽  
Proof Of Concept ◽  
Single Molecule Magnets ◽  
On Demand

Lanthanide based single molecule magnets have recently become very promising systems for creating single molecule device working at high temperature (nitrogen boiling temperature). However, the variation of direction of the...

scholarly journals In-depth investigation of large axial magnetic anisotropy in monometallic 3d complexes using frequency domain magnetic resonance and ab initio methods: a study of trigonal bipyramidal Co(ii)

2019 ◽  
Vol 10 (25) ◽  
pp. 6354-6361 ◽  
Author(s):  
Moya A. Hay ◽  
Arup Sarkar ◽  
Gavin A. Craig ◽  
Lakshmi Bhaskaran ◽  
Joscha Nehrkorn ◽  
...  
Keyword(s):  
Magnetic Resonance ◽  
Magnetic Anisotropy ◽  
Ab Initio ◽  
Frequency Domain ◽  
Easy Plane ◽  
Ab Initio Methods ◽  
Trigonal Bipyramidal

Symmetry control using DABCO generates a large easy-plane magnetic anisotropy with zero rhombic anisotropy.

scholarly journals New high-pressure phases of Fe7N3 and Fe7C3 stable at Earth's core conditions: evidences for carbon–nitrogen isomorphism in Fe-compounds

RSC Advances ◽  
2019 ◽  
Vol 9 (7) ◽  
pp. 3577-3581 ◽  
Author(s):  
Nursultan Sagatov ◽  
Pavel N. Gavryushkin ◽  
Talgat M. Inerbaev ◽  
Konstantin D. Litasov
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Ab Initio ◽  
Structure Prediction ◽  
Harmonic Approximation ◽  
Crystal Structure Prediction ◽  
Earth’S Core ◽  
Earth's Core ◽  
Core Conditions

We carried out ab initio calculations on the crystal structure prediction and determination of P–T diagrams within the quasi-harmonic approximation for Fe7N3 and Fe7C3.

Ab Initio High Pressure and Temperature Investigation on Cubic PbMoO3 Perovskite

2017 ◽  
Vol 46 (12) ◽  
pp. 6870-6877 ◽  
Author(s):  
Sajad Ahmad Dar ◽  
Vipul Srivastava ◽  
Umesh Kumar Sakalle
Keyword(s):  
High Pressure ◽  
Ab Initio ◽  
High Pressure And Temperature

Nature of electronic topological transition and superconductivity in bismuth under high pressure from ab initio random structure searching

2021 ◽  
Vol 200 ◽  
pp. 110806
Author(s):  
Wanaruk Chaimayo ◽  
Prutthipong Tsuppayakorn-aek ◽  
Prayoonsak Pluengphon ◽  
Komsilp Kotmool ◽  
Teerachote Pakornchote ◽  
...  
Keyword(s):  
High Pressure ◽  
Ab Initio ◽  
Random Structure ◽  
Topological Transition ◽  
Electronic Topological Transition

Ab initio study of MgSiO3 low-clinoenstatite at high pressure

2001 ◽  
Vol 86 (5-6) ◽  
pp. 762-766 ◽  
Author(s):  
Wenhui Duan ◽  
Bijaya B. Karki ◽  
Renata M. Wentzcovitch ◽  
B.L. Gu
Keyword(s):  
High Pressure ◽  
Ab Initio ◽  
Ab Initio Study

Giant Ising-Type Magnetic Anisotropy in Trigonal Bipyramidal Ni(II) Complexes: Experiment and Theory

2013 ◽  
Vol 135 (8) ◽  
pp. 3017-3026 ◽  
Author(s):  
Renaud Ruamps ◽  
Rémi Maurice ◽  
Luke Batchelor ◽  
Martial Boggio-Pasqua ◽  
Régis Guillot ◽  
...  
Keyword(s):  
Magnetic Anisotropy ◽  
Trigonal Bipyramidal
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